(3-bromo-5-fluoropyridin-4-yl)(cyclohexyl)methanol

• ChemBase ID: 273499
• Molecular Formular: C12H15BrFNO
• Molecular Mass: 288.1560032
• Monoisotopic Mass: 287.03210433
• SMILES: c1(C(C2CCCCC2)O)c(F)cncc1Br
• Canonical SMILES: Fc1cncc(c1C(C1CCCCC1)O)Br
• InChI: InChI=1S/C12H15BrFNO/c13-9-6-15-7-10(14)11(9)12(16)8-4-2-1-3-5-8/h6-8,12,16H,1-5H2
• InChIKey: GNFNLOGQSXGZQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromo-5-fluoropyridin-4-yl)(cyclohexyl)methanol
• IUPAC Traditional name: (3-bromo-5-fluoropyridin-4-yl)(cyclohexyl)methanol
• Synonyms: (3-bromo-5-fluoropyridin-4-yl)(cyclohexyl)methanol

Database IDs

• MDL Number: MFCD18785493
• PubChem SID: 164329409
• PubChem CID: 54592858

CALCULATED PROPERTIES

• Acid pKa: 13.551248
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0737197
• LogD (pH = 7.4): 3.073728
• Log P: 3.0737286
• Molar Refractivity: 63.9714 cm^3
• Polarizability: 24.770073 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 3.156

Product Information

• Purity: 95%